3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide

C24H24N4O3 — CID 136823232

About 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide

3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide (PubChem CID 136823232) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
• PubChem CID: 136823232
• Molecular Formula: C24H24N4O3
• Molecular Weight: 416.48 g/mol
• Exact Mass: 416.18
• IUPAC Name: 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
• SMILES: Cc1ccc([C@H](C)NC(=O)CCc2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)cc1
• InChI: InChI=1S/C24H24N4O3/c1-14-4-7-17(8-5-14)16(3)25-21(29)10-11-22-27-23(28-31-22)19-13-18-9-6-15(2)12-20(18)26-24(19)30/h4-9,12-13,16H,10-11H2,1-3H3,(H,25,29)(H,26,30)/t16-/m0/s1
• InChIKey: MBVHDARLHGQATI-INIZCTEOSA-N
• XLogP: 4.00
• TPSA: 100.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.48
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide?

The IUPAC name of 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide (CID 136823232) is 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide.

What is the SMILES notation for 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide?

The canonical SMILES for 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide is Cc1ccc([C@H](C)NC(=O)CCc2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)cc1.

What is the InChIKey of 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide?

The InChIKey is MBVHDARLHGQATI-INIZCTEOSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-14-4-7-17(8-5-14)16(3)25-21(29)10-11-22-27-23(28-31-22)19-13-18-9-6-15(2)12-20(18)26-24(19)30/h4-9,12-13,16H,10-11H2,1-3H3,(H,25,29)(H,26,30)/t16-/m0/s1.

What are the key properties of 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide?

3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide has a molecular weight of 416.48 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 136823232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).